MMsINC Database Search


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MMsINC code: MMs00614704

Type: Neutral
Formula: C₁₅H₁₂F₃NO

SMILES:

FC(F)(F)C(=O)NC(c1ccccc1)c1ccccc1

InChI:

InChI=1/C15H12F3NO/c16-15(17,18)14(20)19-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.262 kcal/mol

Physical Properties
Molecular Weight: 279.261 g/mol	logS: -4.3819	SlogP: 3.9699	Reactive groups: 0

Topological Properties
Globularity: 0.311028	Sterimol/B1: 2.32966	Sterimol/B2: 3.42947	Sterimol/B3: 4.31394
Sterimol/B4: 8.95078	Sterimol/L: 11.0837

Surface and Volume Properties
Accessible surface: 479.364	Positive charged surface: 201.291	Negative charged surface: 278.073	Volume: 244.5
Hydrophobic surface: 334.434	Hydrophilic surface: 144.93

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.